BDBM50399415 CHEMBL2178872

SMILES: FC(F)(F)CCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1

InChI Key: InChIKey=PUCADISPXQCOJH-LBPRGKRZSA-N

Data: 2 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50399415   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50399415 (CHEMBL2178872) Show SMILES FC(F)(F)CCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H16F3N3O2/c16-15(17,18)3-1-11-6-14(23-21-11)10-5-13(8-19-7-10)22-9-12-2-4-20-12/h5-8,12,20H,1-4,9H2/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50399415 (CHEMBL2178872) Show SMILES FC(F)(F)CCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H16F3N3O2/c16-15(17,18)3-1-11-6-14(23-21-11)10-5-13(8-19-7-10)22-9-12-2-4-20-12/h5-8,12,20H,1-4,9H2/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50399415 (CHEMBL2178872) Show SMILES FC(F)(F)CCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H16F3N3O2/c16-15(17,18)3-1-11-6-14(23-21-11)10-5-13(8-19-7-10)22-9-12-2-4-20-12/h5-8,12,20H,1-4,9H2/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	53.7	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liqui...				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50399415 (CHEMBL2178872) Show SMILES FC(F)(F)CCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H16F3N3O2/c16-15(17,18)3-1-11-6-14(23-21-11)10-5-13(8-19-7-10)22-9-12-2-4-20-12/h5-8,12,20H,1-4,9H2/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83.2	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liq...				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair